Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3toi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N THR 225.A O no hydrogen 2.772 N/A ARG 4.A NH1 GLU 25.A OE1 no hydrogen 3.043 N/A ARG 4.A NH1 ARG 26.A O no hydrogen 2.861 N/A ARG 4.A NH2 ARG 26.A O no hydrogen 2.848 N/A GLY 6.A N TYR 223.A O no hydrogen 2.825 N/A TYR 7.A N PHE 21.A O no hydrogen 2.840 N/A ILE 8.A N VAL 221.A O no hydrogen 2.905 N/A GLU 9.A N GLU 19.A O no hydrogen 2.959 N/A LEU 10.A N ILE 219.A O no hydrogen 2.826 N/A ASP 11.A N LYS 16.A O no hydrogen 2.832 N/A LEU 12.A N SER 217.A O no hydrogen 2.796 N/A SER 14.A N ASP 11.A OD2 no hydrogen 2.884 N/A SER 14.A OG ASP 11.A OD2 no hydrogen 2.717 N/A GLY 15.A N ASP 11.A O no hydrogen 2.808 N/A LYS 16.A N SER 14.A OG no hydrogen 2.922 N/A LEU 18.A N GLU 9.A O no hydrogen 2.785 N/A PHE 21.A N TYR 7.A O no hydrogen 2.864 N/A ARG 22.A NH1 GLU 25.A OE2 no hydrogen 2.563 N/A GLU 25.A N ARG 22.A O no hydrogen 3.348 N/A ARG 26.A NH1 VAL 120.A O no hydrogen 2.873 N/A ARG 26.A NH1 THR 141.A OG1 no hydrogen 2.744 N/A ARG 26.A NH2 VAL 120.A O no hydrogen 2.793 N/A PHE 27.A N THR 142.A O no hydrogen 2.814 N/A MET 29.A N ASP 140.A O no hydrogen 2.920 N/A SER 31.A OG SER 91.A OG no hydrogen 3.022 N/A THR 32.A N MET 29.A O no hydrogen 3.171 N/A THR 32.A OG1 MET 29.A O no hydrogen 2.542 N/A THR 32.A OG1 TYR 223.A OH no hydrogen 2.666 N/A PHE 33.A N MET 30.A O no hydrogen 3.294 N/A LYS 34.A N SER 31.A O no hydrogen 3.028 N/A LYS 34.A NZ SER 31.A OG no hydrogen 3.072 N/A LYS 34.A NZ SER 91.A O no hydrogen 2.784 N/A LYS 34.A NZ SER 91.A OG no hydrogen 3.185 N/A LYS 34.A NZ ASN 93.A OD1 no hydrogen 2.842 N/A VAL 35.A N THR 32.A O no hydrogen 3.393 N/A LEU 37.A N PHE 33.A O no hydrogen 2.913 N/A CYS 38.A N LYS 34.A O no hydrogen 3.157 N/A CYS 38.A SG LYS 34.A O no hydrogen 3.710 N/A GLY 39.A N VAL 35.A O no hydrogen 2.858 N/A ALA 40.A N LEU 36.A O no hydrogen 2.873 N/A VAL 41.A N LEU 37.A O no hydrogen 2.999 N/A LEU 42.A N CYS 38.A O no hydrogen 2.791 N/A SER 43.A N GLY 39.A O no hydrogen 2.955 N/A ARG 44.A N ALA 40.A O no hydrogen 3.128 N/A ARG 44.A NH2 GLU 50.A OE2 no hydrogen 3.467 N/A ILE 45.A N VAL 41.A O no hydrogen 2.945 N/A ASP 46.A N LEU 42.A O no hydrogen 2.861 N/A ALA 47.A N SER 43.A O no hydrogen 3.064 N/A GLY 48.A N ILE 45.A O no hydrogen 2.867 N/A GLN 49.A N ARG 44.A O no hydrogen 2.804 N/A GLN 51.A N GLU 50.A OE1 no hydrogen 2.882 N/A ARG 54.A N GLN 51.A O no hydrogen 3.207 N/A ARG 54.A NE GLU 50.A OE1 no hydrogen 2.731 N/A ARG 54.A NH2 GLU 50.A OE1 no hydrogen 3.500 N/A ARG 54.A NH2 GLU 50.A OE2 no hydrogen 2.769 N/A ARG 55.A NH1 ASP 76.A O no hydrogen 3.041 N/A ILE 56.A N MET 78.A O no hydrogen 2.769 N/A TYR 58.A OH THR 70.A O no hydrogen 2.548 N/A SER 59.A N ASP 62.A OD2 no hydrogen 3.054 N/A ASN 61.A N SER 59.A OG no hydrogen 3.313 N/A ASP 62.A N SER 59.A O no hydrogen 3.011 N/A LEU 63.A N GLN 60.A O no hydrogen 3.063 N/A VAL 64.A N THR 94.A OG1 no hydrogen 2.939 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.617 N/A TYR 66.A OH MET 90.A O no hydrogen 2.705 N/A SER 67.A OG VAL 64.A O no hydrogen 2.719 N/A SER 67.A OG THR 94.A OG1 no hydrogen 2.528 N/A VAL 69.A N ASP 92.A OD2 no hydrogen 2.839 N/A THR 70.A N ASP 92.A OD2 no hydrogen 2.901 N/A THR 70.A OG1 SER 67.A O no hydrogen 3.551 N/A THR 70.A OG1 ASP 92.A OD1 no hydrogen 2.829 N/A THR 70.A OG1 ASP 92.A OD2 no hydrogen 3.181 N/A GLU 71.A N SER 67.A O no hydrogen 3.062 N/A LYS 72.A N VAL 69.A O no hydrogen 3.013 N/A LYS 72.A NZ PRO 68.A O no hydrogen 2.534 N/A HIS 73.A N THR 70.A O no hydrogen 3.091 N/A GLY 77.A N HIS 73.A O no hydrogen 2.885 N/A MET 78.A N ILE 56.A O no hydrogen 3.131 N/A THR 79.A N GLU 82.A OE1 no hydrogen 3.001 N/A VAL 80.A N ARG 54.A O no hydrogen 2.815 N/A GLY 81.A N LEU 52.A O no hydrogen 2.796 N/A GLU 82.A N THR 79.A OG1 no hydrogen 3.062 N/A LEU 83.A N THR 79.A O no hydrogen 2.837 N/A CYS 84.A N VAL 80.A O no hydrogen 2.954 N/A SER 85.A N GLY 81.A O no hydrogen 2.963 N/A ALA 86.A N GLU 82.A O no hydrogen 2.813 N/A ALA 87.A N LEU 83.A O no hydrogen 2.715 N/A ILE 88.A N CYS 84.A O no hydrogen 2.868 N/A THR 89.A N SER 85.A O no hydrogen 2.740 N/A THR 89.A OG1 SER 85.A O no hydrogen 2.674 N/A MET 90.A N ALA 86.A O no hydrogen 3.104 N/A SER 91.A OG SER 31.A OG no hydrogen 3.022 N/A ASP 92.A N ALA 86.A O no hydrogen 3.063 N/A ASN 93.A N TYR 66.A O no hydrogen 3.030 N/A ASN 93.A ND2 GLU 65.A O no hydrogen 2.880 N/A THR 94.A OG1 SER 67.A OG no hydrogen 2.528 N/A ALA 95.A N ASP 92.A OD1 no hydrogen 2.931 N/A ALA 96.A N ASP 92.A O no hydrogen 3.231 N/A ASN 97.A N ASN 93.A O no hydrogen 3.092 N/A ASN 97.A ND2 GLU 127.A O no hydrogen 2.952 N/A LEU 98.A N THR 94.A O no hydrogen 2.858 N/A LEU 99.A N ALA 95.A O no hydrogen 2.962 N/A LEU 100.A N ALA 96.A O no hydrogen 2.894 N/A THR 101.A N ASN 97.A O no hydrogen 2.898 N/A THR 101.A OG1 ASN 97.A O no hydrogen 3.121 N/A THR 102.A N LEU 98.A O no hydrogen 3.117 N/A THR 102.A OG1 LEU 99.A O no hydrogen 2.578 N/A ILE 103.A N LEU 99.A O no hydrogen 3.208 N/A ILE 103.A N LEU 100.A O no hydrogen 3.131 N/A GLY 104.A N LEU 100.A O no hydrogen 2.981 N/A GLY 104.A N THR 101.A O no hydrogen 3.259 N/A GLY 105.A N LEU 100.A O no hydrogen 2.630 N/A GLU 108.A N GLY 105.A O no hydrogen 3.071 N/A LEU 109.A N GLY 105.A O no hydrogen 3.098 N/A THR 110.A N PRO 106.A O no hydrogen 2.866 N/A THR 110.A OG1 PRO 106.A O no hydrogen 2.947 N/A THR 110.A OG1 LEU 123.A O no hydrogen 2.930 N/A ALA 111.A N LYS 107.A O no hydrogen 2.853 N/A PHE 112.A N GLU 108.A O no hydrogen 2.825 N/A LEU 113.A N LEU 109.A O no hydrogen 2.975 N/A HIS 114.A N THR 110.A O no hydrogen 2.849 N/A ASN 115.A N ALA 111.A O no hydrogen 2.884 N/A MET 116.A N PHE 112.A O no hydrogen 3.170 N/A MET 116.A N LEU 113.A O no hydrogen 3.083 N/A GLY 117.A N HIS 114.A O no hydrogen 3.013 N/A ASP 118.A N LEU 113.A O no hydrogen 2.822 N/A VAL 120.A N ASP 118.A OD1 no hydrogen 3.041 N/A THR 121.A N ASP 118.A OD1 no hydrogen 3.017 N/A THR 121.A OG1 ASP 118.A OD1 no hydrogen 3.386 N/A THR 121.A OG1 ASP 118.A OD2 no hydrogen 2.774 N/A THR 121.A OG1 THR 142.A OG1 no hydrogen 2.596 N/A ARG 122.A N THR 141.A O no hydrogen 2.994 N/A ARG 122.A NE ASP 124.A OD1 no hydrogen 2.985 N/A ARG 122.A NH2 ASP 124.A OD1 no hydrogen 3.544 N/A ARG 122.A NH2 ASP 124.A OD2 no hydrogen 2.675 N/A LEU 123.A N THR 110.A OG1 no hydrogen 3.039 N/A ASP 124.A N ASP 140.A OD1 no hydrogen 2.630 N/A ARG 125.A N ASP 140.A OD1 no hydrogen 2.781 N/A ARG 125.A NE ASP 140.A OD2 no hydrogen 2.737 N/A ARG 125.A NH2 ASP 140.A OD2 no hydrogen 2.873 N/A GLU 127.A N ASN 97.A OD1 no hydrogen 2.927 N/A LEU 130.A N TRP 126.A O no hydrogen 2.899 N/A ASN 131.A N PRO 128.A O no hydrogen 3.121 N/A ASN 131.A ND2 PRO 128.A O no hydrogen 3.260 N/A GLU 132.A N GLU 129.A O no hydrogen 3.123 N/A ASP 137.A N ILE 134.A O no hydrogen 3.010 N/A ARG 139.A N ASP 137.A OD1 no hydrogen 3.015 N/A ARG 139.A NE ASP 137.A OD1 no hydrogen 3.161 N/A ARG 139.A NE ASP 137.A OD2 no hydrogen 3.011 N/A ARG 139.A NH2 ASP 137.A OD2 no hydrogen 2.629 N/A ASP 140.A N ASP 124.A OD1 no hydrogen 2.975 N/A THR 141.A OG1 GLU 138.A O no hydrogen 2.740 N/A THR 142.A N PHE 27.A O no hydrogen 2.955 N/A THR 142.A OG1 THR 121.A OG1 no hydrogen 2.596 N/A THR 142.A OG1 THR 143.A O no hydrogen 3.227 N/A THR 143.A OG1 PRO 23.A O no hydrogen 3.395 N/A VAL 145.A N PRO 23.A O no hydrogen 2.996 N/A ALA 146.A N THR 143.A OG1 no hydrogen 3.076 N/A MET 147.A N THR 143.A O no hydrogen 2.982 N/A ALA 148.A N PRO 144.A O no hydrogen 2.893 N/A THR 149.A N VAL 145.A O no hydrogen 2.973 N/A THR 149.A OG1 VAL 145.A O no hydrogen 2.597 N/A THR 150.A N ALA 146.A O no hydrogen 2.911 N/A THR 150.A OG1 ASP 118.A OD2 no hydrogen 2.641 N/A THR 150.A OG1 ALA 146.A O no hydrogen 3.017 N/A LEU 151.A N MET 147.A O no hydrogen 2.732 N/A ARG 152.A N ALA 148.A O no hydrogen 2.970 N/A ARG 152.A NE LEU 12.A O no hydrogen 2.891 N/A ARG 152.A NH2 LEU 12.A O no hydrogen 3.302 N/A ARG 152.A NH2 ASN 13.A O no hydrogen 2.629 N/A LYS 153.A N THR 149.A O no hydrogen 2.961 N/A LYS 153.A NZ MET 116.A O no hydrogen 2.950 N/A LEU 154.A N THR 150.A O no hydrogen 2.896 N/A LEU 155.A N LEU 151.A O no hydrogen 2.831 N/A SER 156.A N ARG 152.A O no hydrogen 2.854 N/A SER 156.A OG ARG 152.A O no hydrogen 2.693 N/A GLY 157.A N ARG 152.A O no hydrogen 3.353 N/A GLY 157.A N LYS 153.A O no hydrogen 3.022 N/A THR 161.A N ASP 46.A OD2 no hydrogen 2.850 N/A THR 161.A OG1 ASP 46.A OD1 no hydrogen 2.873 N/A THR 161.A OG1 ASP 46.A OD2 no hydrogen 3.551 N/A THR 161.A OG1 SER 164.A OG no hydrogen 3.370 N/A SER 164.A N THR 161.A OG1 no hydrogen 3.327 N/A SER 164.A OG ASP 46.A OD1 no hydrogen 2.526 N/A SER 164.A OG THR 161.A OG1 no hydrogen 3.370 N/A ARG 165.A N THR 161.A O no hydrogen 2.889 N/A ARG 165.A NE LEU 160.A O no hydrogen 3.160 N/A ARG 165.A NH1 GLU 158.A OE1 no hydrogen 2.747 N/A ARG 165.A NH1 LEU 160.A O no hydrogen 2.836 N/A GLN 166.A N LEU 162.A O no hydrogen 3.024 N/A GLN 167.A N ALA 163.A O no hydrogen 2.859 N/A LEU 168.A N SER 164.A O no hydrogen 2.871 N/A MET 169.A N ARG 165.A O no hydrogen 3.028 N/A ASP 170.A N GLN 166.A O no hydrogen 2.764 N/A TRP 171.A N GLN 167.A O no hydrogen 3.045 N/A MET 172.A N LEU 168.A O no hydrogen 3.204 N/A GLU 173.A N MET 169.A O no hydrogen 2.795 N/A ALA 174.A N ASP 170.A O no hydrogen 3.208 N/A ALA 174.A N TRP 171.A O no hydrogen 3.114 N/A ASP 175.A N MET 172.A O no hydrogen 3.207 N/A LYS 176.A N THR 89.A O no hydrogen 2.782 N/A VAL 177.A N ASP 175.A OD1 no hydrogen 3.122 N/A LEU 181.A N ALA 178.A O no hydrogen 3.078 N/A ARG 183.A NE ASP 194.A OD1 no hydrogen 3.141 N/A ARG 183.A NE ASP 194.A OD2 no hydrogen 2.968 N/A ARG 183.A NH2 GLU 173.A O no hydrogen 3.215 N/A ARG 183.A NH2 ASP 194.A OD1 no hydrogen 2.819 N/A SER 184.A N LEU 181.A O no hydrogen 3.110 N/A SER 184.A OG PRO 180.A O no hydrogen 3.540 N/A SER 184.A OG LEU 181.A O no hydrogen 2.716 N/A VAL 185.A N LEU 182.A O no hydrogen 3.007 N/A TRP 190.A N PRO 187.A O no hydrogen 3.255 N/A PHE 191.A N GLY 211.A O no hydrogen 2.791 N/A ALA 193.A N ALA 209.A O no hydrogen 2.705 N/A ASP 194.A N MET 172.A O no hydrogen 3.110 N/A LYS 195.A N ILE 207.A O no hydrogen 2.822 N/A LYS 195.A NZ SER 91.A OG no hydrogen 2.741 N/A LYS 195.A NZ SER 196.A O no hydrogen 2.747 N/A SER 196.A OG VAL 177.A O no hydrogen 3.294 N/A GLY 197.A N GLY 205.A O no hydrogen 2.827 N/A GLY 199.A N SER 203.A O no hydrogen 2.965 N/A GLU 200.A N ASN 131.A O no hydrogen 2.907 N/A SER 203.A OG GLU 200.A O no hydrogen 2.810 N/A SER 203.A OG THR 225.A OG1 no hydrogen 2.467 N/A ARG 204.A N MET 224.A O no hydrogen 2.936 N/A ARG 204.A NE ASN 235.A OD1 no hydrogen 2.777 N/A ARG 204.A NH1 GLY 197.A O no hydrogen 2.968 N/A ARG 204.A NH2 ASN 235.A OD1 no hydrogen 2.951 N/A GLY 205.A N GLY 197.A O no hydrogen 2.992 N/A ILE 206.A N ILE 222.A O no hydrogen 2.790 N/A ILE 207.A N LYS 195.A O no hydrogen 2.917 N/A ALA 208.A N VAL 220.A O no hydrogen 2.830 N/A ALA 209.A N ALA 193.A O no hydrogen 2.691 N/A LEU 210.A N ARG 218.A O no hydrogen 2.940 N/A GLY 211.A N PHE 191.A O no hydrogen 3.014 N/A GLY 214.A N GLY 189.A O no hydrogen 3.213 N/A LYS 215.A N PRO 212.A O no hydrogen 3.204 N/A SER 217.A N LEU 210.A O no hydrogen 2.898 N/A ARG 218.A N LEU 210.A O no hydrogen 2.875 N/A ARG 218.A NH2 SER 217.A O no hydrogen 3.306 N/A ILE 219.A N LEU 10.A O no hydrogen 2.900 N/A VAL 220.A N ALA 208.A O no hydrogen 2.893 N/A VAL 221.A N ILE 8.A O no hydrogen 3.040 N/A ILE 222.A N ILE 206.A O no hydrogen 2.920 N/A TYR 223.A N GLY 6.A O no hydrogen 2.783 N/A TYR 223.A OH THR 32.A OG1 no hydrogen 2.666 N/A MET 224.A N ARG 204.A O no hydrogen 2.745 N/A THR 225.A N ARG 4.A O no hydrogen 2.940 N/A THR 225.A OG1 SER 203.A OG no hydrogen 2.467 N/A GLY 226.A N HIS 201.A O no hydrogen 2.766 N/A SER 227.A N GLY 202.A O no hydrogen 3.223 N/A GLN 228.A N GLY 1.A O no hydrogen 2.970 N/A ALA 229.A N SER 227.A OG no hydrogen 3.052 N/A ARG 234.A N THR 230.A O no hydrogen 2.898 N/A ARG 234.A NE ALA 229.A O no hydrogen 3.235 N/A ARG 234.A NH1 SER 203.A O no hydrogen 3.410 N/A ASN 235.A N MET 231.A O no hydrogen 2.865 N/A ARG 236.A N ASP 232.A O no hydrogen 2.984 N/A GLN 237.A N GLU 233.A O no hydrogen 2.786 N/A ILE 238.A N ARG 234.A O no hydrogen 3.093 N/A ALA 239.A N ASN 235.A O no hydrogen 2.942 N/A GLU 240.A N ARG 236.A O no hydrogen 2.726 N/A ILE 241.A N GLN 237.A O no hydrogen 2.985 N/A GLY 242.A N ILE 238.A O no hydrogen 2.814 N/A ALA 243.A N ALA 239.A O no hydrogen 2.726 N/A SER 244.A N GLU 240.A O no hydrogen 3.005 N/A SER 244.A OG GLU 240.A O no hydrogen 3.262 N/A LEU 245.A N ILE 241.A O no hydrogen 3.064 N/A ILE 246.A N GLY 242.A O no hydrogen 2.866 N/A GLY 247.A N ALA 243.A O no hydrogen 2.842 N/A GLY 248.A N SER 244.A O no hydrogen 2.847 N/A